UCSF

ZINC42447352

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 6.15 -36.56 2 3 1 37 239.383 2
Hi High (pH 8-9.5) 2.51 4.99 -7.32 1 3 0 32 238.375 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )